N-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine

C8H10F3N3O — CID 132530569

IUPACN-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESCCOC(Nc1cnccn1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-2-15-7(8(9,10)11)14-6-5-12-3-4-13-6/h3-5,7H,2H2,1H3,(H,13,14)
InChIKeyUJVROIQAEJPUJI-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.81
Rot. Bonds4

About N-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine

N-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine (PubChem CID 132530569) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine
PubChem CID132530569
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESCCOC(Nc1cnccn1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-2-15-7(8(9,10)11)14-6-5-12-3-4-13-6/h3-5,7H,2H2,1H3,(H,13,14)
InChIKeyUJVROIQAEJPUJI-UHFFFAOYSA-N
XLogP1.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroethyl N-(pyrazin-2-yl)carbamate
CID 43616223
N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 29297647
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
CID 60730728
6-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
CID 61361800
N-(3,3,3-trifluoropropyl)pyrazin-2-amine
CID 63226687
3-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
CID 63834074
2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine
CID 78989007
6-N-ethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazine-2,6-diamine
CID 78990181
6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine
CID 79034081
N-(4,4,4-trifluorobutyl)pyrazin-2-amine
CID 79040054
2-N-(2,2-difluoroethyl)pyrazine-2,6-diamine
CID 79098168
N-(2,2-difluoroethyl)pyrazin-2-amine
CID 79098289

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine?
The IUPAC name of N-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine (CID 132530569) is N-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine.
What is the SMILES notation for N-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine?
The canonical SMILES for N-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine is CCOC(Nc1cnccn1)C(F)(F)F.
What is the InChIKey of N-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine?
The InChIKey is UJVROIQAEJPUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-15-7(8(9,10)11)14-6-5-12-3-4-13-6/h3-5,7H,2H2,1H3,(H,13,14).
What are the key properties of N-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine?
N-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine has a molecular weight of 221.18 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-2,2,2-trifluoroethyl)pyrazin-2-amine is sourced from PubChem (CID 132530569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).